5YG9

Crystal structure of ribose-1,5-bisphosphate isomerase mutant C135S from Pyrococcus horikoshii OT3 in complex with ribose-1,5-bisphosphate, AMP and GMP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2017-03-10
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 31 1 2
Unit cell lengths	98.840, 98.840, 256.281
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	85.600 - 2.800
R-factor	0.1591
Rwork	0.156
R-free	0.22730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5yfj
RMSD bond length	0.013
RMSD bond angle	1.747
Data reduction software	MOSFLM (7.2.1)
Data scaling software	Aimless (0.5.28)
Phasing software	PHASER (2.6.1)
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	85.600	2.940
High resolution limit [Å]	2.800	2.800
Rmerge	0.147	0.530	0.038
Rmeas	0.154	0.553	0.040
Rpim	0.045	0.157	0.013
Number of reflections	35799	4709	1073
<I/σ(I)>	15.6	5.1
Completeness [%]	100.0	100	100
Redundancy	11.7	12.3	10.6
CC(1/2)	0.997	0.943	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.7 M NaCl, 3% PEG 6000, 30% MPD